⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL131702 | 0.95 | — | — | |
| SCHEMBL28550216 | 0.93 | — | — | |
| SCHEMBL4397237 | 0.93 | — | — | |
| Iodide SCHEMBL28564958 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL30638599 | 0.93 | — | — | |
| Water SCHEMBL29051398 | 0.93 | — | — | |
| Bromide SCHEMBL28392885 | 0.93 | — | — | |
| Water SCHEMBL7137776 | 0.93 | TAAR1 (0.53) | — | |
| Iodide SCHEMBL633203 | 0.93 | — | — | |
| SCHEMBL30859449 | 0.93 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104016922-B | Preparation method of 2-ethylimidazole ionic liquid and application thereof | 西安工程大学 | 2017-01-18 | — | — | CN | disclosed |